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Generate Small Molecules
BoltzMol-1
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De novo small-molecule binder design against a target protein
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Job Name
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EXAMPLES
Target pocket generation
Protein-guided small molecule design
Target
Target protein sequence *
Pocket Residues
Reference Ligands
Generation
Number of molecules
Chemical Space
enamine_real
Constraints
Bonds
Optional settings
SMARTS Catalog Filter Level
recommended
extra
aggressive
disabled
Enable Lipinski
Lipinski Max MW
Lipinski Max LogP
Lipinski Max HBD
Lipinski Max HBA
Lipinski Allow Single Violation
RDKit Descriptor Filter
SMARTS Catalog
none
PAINS
BRENK
CHEMBL
NIH
SMARTS Custom Patterns
SMILES Regex Patterns
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